N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

C18H22N2O4S — CID 53279777

IUPACN-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(14-7-11-17(24-3)12-8-14)19-18(21)15-5-9-16(10-6-15)20(2)25(4,22)23/h5-13H,1-4H3,(H,19,21)
InChIKeyLNYXXJNKUBOIEY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 53279777) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID53279777
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(14-7-11-17(24-3)12-8-14)19-18(21)15-5-9-16(10-6-15)20(2)25(4,22)23/h5-13H,1-4H3,(H,19,21)
InChIKeyLNYXXJNKUBOIEY-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786931
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132659634
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92675362
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53280421
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 53279777) is N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is COc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is LNYXXJNKUBOIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(14-7-11-17(24-3)12-8-14)19-18(21)15-5-9-16(10-6-15)20(2)25(4,22)23/h5-13H,1-4H3,(H,19,21).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 53279777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).